methyl 5-methyl-4-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S2/c1-16-20(18-7-4-3-5-8-18)21(23(29)30-2)22(32-16)27-24(31)26-19-11-9-17(10-12-19)15-28-14-6-13-25-28/h3-14H,15H2,1-2H3,(H2,26,27,31)